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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:17:09 UTC
Update Date2025-03-25 01:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02518966
Frequency0.5
Structure
Chemical FormulaC24H17I5O9S
Molecular Mass1115.5817
SMILESO=C1OCC(Cc2cc(I)c(Oc3cc(I)c(OS(=O)(=O)O)c(I)c3)c(I)c2)C1Cc1cc(O)c(O)c(I)c1
InChI KeyWUKIOKSWFCBKOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
Classfuranoid lignans
Subclass tetrahydrofuran lignans
Direct Parent dibenzylbutyrolactone lignans
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl iodides
  • carbonyl compounds
  • carboxylic acid esters
  • diarylethers
  • diphenylethers
  • gamma butyrolactones
  • halophenols
  • hydrocarbon derivatives
  • iodobenzenes
  • lignan lactones
  • m-iodophenols
  • monocarboxylic acids and derivatives
  • o-iodophenols
  • organic oxides
  • organoiodides
  • oxacyclic compounds
  • phenol ethers
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • aromatic heteromonocyclic compound
  • dibenzylbutyrolactone
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • iodobenzene
  • organoiodide
  • lignan lactone
  • lactone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organoheterocyclic compound
  • 3-halophenol
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • 2-iodophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • gamma butyrolactone
  • aryl halide
  • 2-halophenol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • aryl iodide
  • halobenzene
  • phenoxy compound
  • sulfuric acid ester
  • 3-iodophenol
  • diphenylether
  • organooxygen compound